SCHEMBL18605000

SCHEMBL18605000

O=C(CCC1CC1)c1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 3/20 0.40
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MLYCD O95822 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29826066 1.00 NPC1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2ACHE
SCHEMBL27422515 0.82 CTNNB1 (0.34) NPC1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL17064469 0.79 KMT2A (0.43) SMN1; SMN2ACHEBCHEKMT2ACYP2C9
SCHEMBL7020718 0.78 GSK3B (0.52) ALDH1A1SMN1; SMN2ACHEBCHEKMT2A
SCHEMBL17064450 0.78 AR (0.38) ACHEBCHEKMT2AKCNH2
SCHEMBL568662 0.77 HSD17B3 (0.52) NPC1SMN1; SMN2
SCHEMBL18623214 0.76 SMN1; SMN2 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2ACHE
SCHEMBL16499517 0.76 HDAC1 (0.39) NPC1SMN1; SMN2KMT2AHDAC1
SCHEMBL934394 0.74 GSK3B (0.55)
SCHEMBL27422512 0.74 GRM4 (0.35) NPC1RAB9ASMN1; SMN2KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
CN-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-10689346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 US disclosed
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-10-24 US disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-13 US disclosed
US-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-13 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 465/4885ALDH1A1 1136/4885RAB9A 2189/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885ALDH1A1 1136/4885RAB9A 2189/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885ALDH1A1 1136/4885RAB9A 2189/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885ALDH1A1 1136/4885RAB9A 2189/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885ALDH1A1 1136/4885RAB9A 2189/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 555/4885ALDH1A1 1425/4885RAB9A 1670/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 465/4885ALDH1A1 1136/4885RAB9A 2189/4885
US-10689346-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 544/4885ALDH1A1 1065/4885RAB9A 1612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.