SCHEMBL6405348

SCHEMBL6405348

COc1cccc(CNC(=O)c2ccc3c(c2)C(N2CCN(C)CC2)CCC3)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
NPC1 O15118 1/20 0.58
APOBEC3A P31941 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
MTNR1B P49286 2/20 0.55
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 3/20 0.53
MMP13 P45452 2/20 0.53
NAMPT P43490 2/20 0.52
MAPT P10636 2/20 0.52
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.49
DRD2 P14416 1/20 0.49

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
SCHEMBL6405838 0.90 MTNR1B (0.58) MTNR1BALDH1A1NAMPTMAPTTP53
SCHEMBL6404451 0.87 HTR2C (0.53) GAALMNANAMPTMAPTTP53
SCHEMBL6406698 0.87 HTR2C (0.53) MTNR1BLMNA
SCHEMBL6407417 0.85 HRH4 (0.52) KMT2AALDH1A1GAA
SCHEMBL6406000 0.83 CXCR3 (0.51) KMT2AMTNR1BLMNADRD2
SCHEMBL6411669 0.83 RAB9A (0.57) MTNR1BALDH1A1GAALMNANAMPT
SCHEMBL6407639 0.83 HTR2C (0.49) KMT2AMTNR1BALDH1A1LMNADRD2
SCHEMBL6407460 0.82 HTR2C (0.58) KMT2AMTNR1BMAPTTP53DRD2
SCHEMBL6409555 0.82 HTR2C (0.58) KMT2AMTNR1BALDH1A1GAALMNA
SCHEMBL6409860 0.81 HTR2C (0.48) KMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D KMT2A 983/4885NPC1 2461/4885APOBEC3A 2592/4885

“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.