SCHEMBL11029291

SCHEMBL11029291

NC(=O)C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.62
HSD11B1 P28845 8/20 0.61
LMNA P02545 1/20 0.55
ALDH1A1 P00352 2/20 0.53
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
HDAC1 Q13547 1/20 0.48
FFAR2 O15552 2/20 0.47
MAP4K4 O95819 1/20 0.46
AKR1C1 Q04828 1/20 0.44

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
SCHEMBL5862774 0.98 HDAC4 (0.64) HDAC4HSD11B1LMNAALDH1A1SLC6A4
SCHEMBL10002416 0.94 HDAC4 (0.59) HDAC4HSD11B1LMNAALDH1A1HDAC1
SCHEMBL1975025 0.90 HSD11B1 (0.56) HDAC4HSD11B1LMNAALDH1A1
SCHEMBL4805246 0.83 HDAC4 (0.64) HDAC4HSD11B1LMNAALDH1A1SLC6A4
SCHEMBL22027131 0.83 LMNA (0.57) HDAC4HSD11B1LMNAALDH1A1AKR1C1
SCHEMBL29057707 0.83 LMNA (0.57) HDAC4HSD11B1LMNAALDH1A1AKR1C1
SCHEMBL694700 0.83 AKR1C1 (0.66) HDAC4HSD11B1ALDH1A1SLC6A4SLC6A3
SCHEMBL2701341 0.82 ALDH1A1 (0.54) HDAC4HSD11B1LMNAALDH1A1MAP4K4
SCHEMBL651440 0.82 DRD2 (0.56) HDAC4HSD11B1ALDH1A1SLC6A4SLC6A3
SCHEMBL3842811 0.81 LMNA (0.55) HDAC4HSD11B1LMNAALDH1A1SLC6A3

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113233996-B Novel TRPV1 antagonistic/FAAH inhibition double-target drug, and preparation method and application thereof 河南大学 2022-05-20 CN claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP claimed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-3402469-B1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INST NAT SANTE RECH MED (FR) 2021-01-06 EP disclosed
US-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) INSERM (Institut National de la Santé et de la Recherche Médicale (FR) 2020-02-04 US disclosed
US-20190022223-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) INSERM (INSTITUT NATIONAL DE LA SANTÉ ET LA SANTÉ ET DE LA RECHERCHE MÉDICALE) (FR) 2019-01-24 US disclosed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US disclosed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP disclosed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US disclosed
EP-2935211-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-28 EP disclosed
WO-2014097140-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-26 WO disclosed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 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 (4 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-10548980-B2 P2X7 receptor antagonists for restoring T-cell lymphopoiesis in subjects infected with human immunodeficiency virus (HIV) P2RX7, P2RX1, P2RX5 HDAC4 4239/4885HSD11B1 3924/4885LMNA 2362/4885
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 HDAC4 2664/4885HSD11B1 4473/4885LMNA 2785/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A HDAC4 3895/4885HSD11B1 3735/4885LMNA 4100/4885
US-20190022223-A1 P2X7 RECEPTOR ANTAGONISTS FOR RESTORING T-CELL LYMPHOPOIESIS IN SUBJECTS INFECTED WITH HUMAN IMMUNODEFICIENCY VIRUS (HIV) P2RX7, P2RX1, P2RX5 HDAC4 4239/4885HSD11B1 3924/4885LMNA 2362/4885

“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.