SCHEMBL6805046

SCHEMBL6805046

COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
ROCK2 O75116 2/20 0.51
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6805452 0.99 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL6806994 0.92 KCNQ3 (0.47) NPC1RAB9ASMN1; SMN2TP53CYP1A2
Hydrochloric Acid SCHEMBL6802790 0.91 KCNQ3 (0.46) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL6806458 0.91 MAPT (0.52) NPC1RAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL6806932 0.90 KMT2A (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6809944 0.89 KMT2A (0.48) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL6805130 0.89 KCNQ3 (0.54) NPC1RAB9ACYP3A4ROCK2KCNQ3
SCHEMBL6805928 0.86 BRAF (0.48)
SCHEMBL6805984 0.86 CSF1R (0.44) NPC1RAB9ACYP3A4ROCK2ALDH1A1
Hydrochloric Acid SCHEMBL6805992 0.85 BRAF (0.48)

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
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP claimed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US claimed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 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 (1 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 NPC1 158/4885RAB9A 4276/4885SMN1; SMN2 953/4885

“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.