SCHEMBL12767657

SCHEMBL12767657

CN[C@H](C)Cc1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
SIGMAR1 Q99720 3/20 0.60
TAAR1 Q96RJ0 2/20 0.60
SLC18A2 Q05940 1/20 0.60
HTR1B P28222 4/20 0.57
ADRB2 P07550 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL10023024 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BSIGMAR1TAAR1
SCHEMBL29602616 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BSIGMAR1TAAR1
SCHEMBL16552400 0.85 MAOB (0.56) HTR2AHTR2CHTR2BSIGMAR1TAAR1
SCHEMBL15133588 0.82 HTR1B (0.54) SIGMAR1TAAR1SLC18A2HTR1BADRB2
SCHEMBL3677922 0.80 HTR2A (0.71) HTR2AHTR2CHTR2BSIGMAR1ADRB2
SCHEMBL8694702 0.80 HTR2A (0.56) HTR2AHTR2CHTR2BSIGMAR1ADRB2
SCHEMBL23023142 0.80 SIGMAR1 (0.69) HTR2AHTR2CHTR2BSIGMAR1ADRB2
SCHEMBL27922311 0.78 ACACB (0.73) HTR2AHTR2CHTR2BSIGMAR1ADRB2
SCHEMBL27922312 0.78 ACACB (0.73) HTR2AHTR2CHTR2BSIGMAR1ADRB2
Hydrochloric Acid SCHEMBL26983843 0.77 HTR1B (0.56) SIGMAR1TAAR1SLC18A2HTR1BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-28 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-20110097266-A1 Bombesin Analog Peptide Antagonist Conjugates BRS3, VIP, GRPR HTR2A 3312/4885HTR2C 3659/4885HTR2B 1331/4885

“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.