SCHEMBL6685944

SCHEMBL6685944

C1=Cc2ccccc2C(c2cc3ccccc3[nH]2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
FLT3 P36888 1/20 0.33
CYP2A6 P11509 1/20 0.33
DAO P14920 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SRD5A2 P31213 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DDO Q99489 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33

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
SCHEMBL5353485 0.75 AOC3 (0.38) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL27537895 0.75 AOC3 (0.35) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL27760742 0.70 ALDH1A1 (0.40) NPC1RAB9AKDM4EMAPTHPGD
SCHEMBL4405510 0.70 SLC6A4 (0.41) NPC1RAB9ACYP2A6KDM4EALDH1A1
SCHEMBL22345616 0.70 PRCP (0.43) KDM4EMAPTALDH1A1
SCHEMBL31072716 0.70 PRCP (0.43) KDM4EMAPTALDH1A1
SCHEMBL4899647 0.68 AOC3 (0.34) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL73543 0.68 AOC3 (0.47) AOC3BRD4NPC1RAB9ALOXL2
SCHEMBL18199941 0.67 HTR2C (0.42) ALDH1A1
SCHEMBL4108681 0.67 FLT3 (0.40) AOC3BRD4NPC1RAB9ALOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO claimed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 US claimed
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 US disclosed
EP-1171434-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-16 EP disclosed
WO-2000064886-A1 TETRAHYDROISOQUINOLINYL-INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 WO 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-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction HTR5A, HTR1A, HTR3A AOC3 358/4885BRD4 4421/4885NPC1 2872/4885

“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.