SCHEMBL623080

SCHEMBL623080

O=Cc1cccc(C(CNC(=O)O)C2(c3ccc(Cl)cc3)CCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.35
SLC6A4 P31645 7/20 0.34
SLC6A3 Q01959 7/20 0.34
SLC6A2 P23975 2/20 0.34
P2RX7 Q99572 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP24A1 Q07973 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTR2A P28223 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL10249618 0.86 DRD2 (0.42) MCHR1SLC6A4SLC6A3SLC6A2CYP3A4
SCHEMBL867586 0.82 CNR1 (0.42) MCHR1CNR1
SCHEMBL621395 0.82 EP300 (0.36) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL620933 0.74 SLC6A9 (0.34) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL10270218 0.71 DRD2 (0.43) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL621541 0.70 MEN1 (0.47) POLBLMNA
SCHEMBL10252969 0.69 DRD2 (0.41) SLC6A4SLC6A3SLC6A2CYP3A4SMN1; SMN2
SCHEMBL10270219 0.66 CYP3A4 (0.43) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL623500 0.65 CYP3A4 (0.42) SLC6A4SLC6A3SLC6A2CYP3A4ALOX15
SCHEMBL15053695 0.64 POLB (0.39) NPC1POLBRAB9ASMN1; SMN2ALDH1A1

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
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-8877794-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2014-11-04 US disclosed
US-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AbbVie Deutschland GmbH & Co. KG (DE) 2014-09-11 US disclosed
EP-2603487-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbott GmbH & Co. KG (DE) 2013-06-19 EP disclosed
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-03-29 US disclosed
WO-2012020130-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-02-16 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 (2 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-20140256701-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT MCHR1 3119/4885SLC6A4 24/4885SLC6A3 63/4885
US-20120077796-A1 PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY KCNT1, CEPT1, PIGT MCHR1 3119/4885SLC6A4 24/4885SLC6A3 63/4885

“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.