SCHEMBL809403

SCHEMBL809403

NC[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.56
PREP P48147 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CTRB1 P17538 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
KDM1A O60341 1/20 0.51
RCOR1 Q9UKL0 1/20 0.51
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9202585 1.00 ACE2 (0.56) ACE2PREPSMN1; SMN2CYP2C19RAB9A
SCHEMBL9202571 1.00 ACE2 (0.56) ACE2PREPSMN1; SMN2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL10613441 0.99 ACE2 (0.55) ACE2PREPSMN1; SMN2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL30452756 0.99 ACE2 (0.55) ACE2PREPSMN1; SMN2CYP2C19RAB9A
SCHEMBL5305188 0.96 SMN1; SMN2 (0.52) ACE2PREPSMN1; SMN2CYP2C19RAB9A
SCHEMBL13961188 0.96 SMN1; SMN2 (0.52) ACE2PREPSMN1; SMN2CYP2C19RAB9A
Hydrochloric Acid SCHEMBL26120340 0.95 SMN1; SMN2 (0.51) ACE2PREPSMN1; SMN2CYP2C19RAB9A
SCHEMBL25762544 0.92 SMN1; SMN2 (0.56) ACE2PREPSMN1; SMN2CYP2C19RAB9A
SCHEMBL5267939 0.88 SPHK2 (0.58) ACE2PREPSMN1; SMN2CYP2C19RAB9A
SCHEMBL4602602 0.88 SPHK2 (0.58) ACE2PREPSMN1; SMN2CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4440700-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2024-10-09 EP disclosed
US-12084467-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2024-09-10 US disclosed
CN-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 CN disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
WO-2023102529-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
US-9605296-B2 Fluorogenic peptidase substrate ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-03-28 US disclosed
US-20140234887-A1 FLUOROGENIC PEPTIDASE SUBSTRATE CENTRE NATIONAL DE LA RECHERCHE SCIENTFIQUE (FR) 2014-08-21 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP 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 (3 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 ACE2 1756/4885PREP 4006/4885SMN1; SMN2 3982/4885
US-12084467-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 ACE2 732/4885PREP 901/4885SMN1; SMN2 3008/4885
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 ACE2 732/4885PREP 901/4885SMN1; SMN2 3008/4885

“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.