SCHEMBL4882951

SCHEMBL4882951

c1cc(C2CCNCC2)c2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.49
ADRB2 P07550 1/20 0.46
AHR P35869 1/20 0.43
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
HTR1A P08908 3/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7864768 0.89 AHR (0.48) HTR2CAHR
SCHEMBL21149281 0.86 AHR (0.46) AHR
SCHEMBL31389946 0.76 AHR (0.43) AHR
SCHEMBL16107462 0.76 CA12 (0.47) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27563314 0.74 KEAP1 (0.45) AHR
SCHEMBL15787074 0.73 HTR2C (0.46) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL27954010 0.73 PTPN11 (0.38) AHRSLC6A4
SCHEMBL2710242 0.73 HTR2C (0.56) HTR2CADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL30368566 0.73 HTR2C (0.56) HTR2CADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL30493303 0.72 HTR2C (0.72) HTR2CADRB2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTR2C 855/4885ADRB2 268/4885AHR 205/4885

“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.