SCHEMBL6248299

SCHEMBL6248299

O=C(C#CN1CCNCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
OPRD1 P41143 5/20 0.41
POLB P06746 1/20 0.41
HTR6 P50406 1/20 0.40
HSP90AA1 P07900 1/20 0.39
NTSR1 P30989 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL28025835 0.72 HSP90AA1 (0.50) ALDH1A1TSHRHSD17B10POLBHSP90AA1
SCHEMBL5143659 0.71 HSP90AA1 (0.57) ALDH1A1TSHRHSD17B10POLBHSP90AA1
SCHEMBL894920 0.69 SIGMAR1 (1.00) SIGMAR1USP2ALDH1A1TSHRHSD17B10
SCHEMBL10556615 0.69 SIGMAR1 (0.72) SIGMAR1USP2ALDH1A1TSHRHSD17B10
SCHEMBL28393 0.69 SIGMAR1 (1.00) SIGMAR1USP2ALDH1A1TSHRHSD17B10
SCHEMBL3257458 0.69 SIGMAR1 (0.45) SIGMAR1OPRD1HTR6HTR3EHTR3B
SCHEMBL1189519 0.69 ALDH1A1 (0.63) SIGMAR1USP2ALDH1A1TSHRHSD17B10
SCHEMBL15603464 0.69 CA2 (0.35) ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10558570 0.68 SIGMAR1 (0.70) SIGMAR1USP2ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL1597474 0.68 SIGMAR1 (0.96) SIGMAR1USP2ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542991-A1 PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS Euro-Celtique, S.A. (LU) 2005-06-22 EP disclosed
US-20040127501-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. (LU) 2004-07-01 US disclosed
WO-2004029044-A1 PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS EURO-CELTIQUE, S.A. (LU) 2004-04-08 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 (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-20040127501-A1 Therapeutic agents useful for treating pain CACNA1A, GRIN2A, HTT SIGMAR1 329/4885USP2 4279/4885ALDH1A1 516/4885

“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.