SCHEMBL6358396

SCHEMBL6358396

COc1cncnc1N1CCN(CCCc2c[nH]c3cc(F)ccc23)C(C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.46
SLC6A4 P31645 3/20 0.46
HTR7 P34969 3/20 0.46
KCNH2 Q12809 2/20 0.46
SSTR2 P30874 4/20 0.43
SSTR4 P31391 4/20 0.43
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD2 P14416 1/20 0.40
SSTR1 P30872 3/20 0.39
SSTR3 P32745 3/20 0.39
MPO P05164 1/20 0.38
SSTR5 P35346 1/20 0.38

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
SCHEMBL6356825 0.94 HTR1A (0.53) HTR1ASLC6A4HTR7KCNH2SLC6A2
SCHEMBL6361481 0.90 HTR1A (0.41) HTR1ASLC6A4HTR7KCNH2SLC6A2
SCHEMBL6361478 0.89 HTR1A (0.49) HTR1ASLC6A4HTR7KCNH2SLC6A2
SCHEMBL6356641 0.85 HTR1A (0.51) HTR1ASLC6A4HTR7KCNH2DRD2
Hydrochloric Acid SCHEMBL8787343 0.82 HTR1A (0.36) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6362332 0.81 DRD2 (0.44) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6356505 0.81 HTR6 (0.39) HTR1ASLC6A4HTR7KCNH2
SCHEMBL6356692 0.80 HTR1A (0.38) HTR1ASLC6A4HTR7KCNH2
SCHEMBL4357142 0.80 HTR1A (0.68) HTR1ASLC6A4HTR7KCNH2SLC6A2
SCHEMBL8978839 0.79 HTR1A (0.37) HTR1ASLC6A4HTR7KCNH2

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-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP claimed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP claimed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 US claimed
US-20050095286-A1 Extended release compositions FABRE KRAMER PHARMACEUTICALS, INC. (US) 2005-05-05 US disclosed
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP disclosed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 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-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1A 22/4885SLC6A4 167/4885HTR7 8/4885

“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.