SCHEMBL23940711

SCHEMBL23940711

CCCn1ccc(C2CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 4/20 0.35
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
HCRTR2 O43614 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31

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
SCHEMBL21166146 0.85 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28564277 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28175220 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL28175233 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17051159 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17663322 0.78 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22060805 0.77 NPC1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16877119 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21471164 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18174949 0.76 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 US disclosed
WO-2023212019-A1 PYRIMIDINONE-CONTAINING 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2023-11-02 WO disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-20230013823-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-01-19 US disclosed
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-12-29 US disclosed
WO-2020053811-A9 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-03-03 WO disclosed
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-10-21 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-20230013823-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20220409619-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20210323961-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H NPC1 209/4885RAB9A 1558/4885SMN1; SMN2 2896/4885

“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.