SCHEMBL6356579

SCHEMBL6356579

CCC1CN(c2ncncc2OC)CCN1CCCc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.47
HTR7 P34969 2/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SSTR4 P31391 2/20 0.40
SSTR3 P32745 1/20 0.40
SSTR2 P30874 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
BCHE P06276 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL6355097 0.84 HTR1A (0.62) HTR1AHTR7SLC6A4KCNH2ABCB1
SCHEMBL6362332 0.84 DRD2 (0.44) HTR1AHTR7SLC6A4KCNH2ABCB1
Hydrochloric Acid SCHEMBL9377200 0.83 HTR1A (0.61) HTR1AHTR7SLC6A4KCNH2ABCB1
SCHEMBL6358396 0.79 HTR1A (0.46) HTR1AHTR7SLC6A4KCNH2SSTR4
SCHEMBL6356641 0.79 HTR1A (0.51) HTR1AHTR7SLC6A4KCNH2MEN1
SCHEMBL6356825 0.79 HTR1A (0.53) HTR1AHTR7SLC6A4KCNH2HTR6
SCHEMBL6362409 0.78 HTR1A (0.58) HTR1AHTR7SLC6A4KCNH2ABCB1
SCHEMBL6357104 0.78 HTR1A (0.51) HTR1AHTR7SLC6A4KCNH2DRD2
SCHEMBL4347801 0.78 ABCC1 (0.42) HTR1AHTR7ABCB1ABCC1ABCG2
SCHEMBL6361481 0.77 HTR1A (0.41) HTR1AHTR7SLC6A4KCNH2HTR6

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
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

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 22/4885HTR7 8/4885SLC6A4 167/4885

“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.