SCHEMBL6258055

SCHEMBL6258055

c1ccc2c(c1)CCC[C@@H]2NCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 3/20 0.49
LMNA P02545 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
BCHE P06276 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR6 P50406 1/20 0.48
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL8249322 0.82 ALDH1A1 (0.57) EPHX1ALDH1A1KDM4EHTTLMNA
SCHEMBL1327511 0.79 HTT (0.56) ALDH1A1KDM4EHTTLMNAMAOA
SCHEMBL14930299 0.79 HTT (0.56) ALDH1A1KDM4EHTTLMNAMAOA
SCHEMBL1327514 0.79 HTT (0.56) ALDH1A1KDM4EHTTLMNAMAOA
SCHEMBL20056802 0.78 KDM1A (0.51) ALDH1A1KDM4EHTTLMNAMAOA
SCHEMBL18995758 0.78 ALDH1A1 (0.60) EPHX1ALDH1A1KDM4EHTTLMNA
SCHEMBL19289840 0.76 HTT (0.64) ALDH1A1KDM4EHTTLMNAMAOA
SCHEMBL6252685 0.76 KDM4E (0.65) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL2704412 0.76 KDM4E (0.65) ALDH1A1KDM4EHTTKMT2AMEN1
SCHEMBL62691 0.76 HTT (0.64) ALDH1A1KDM4EHTTLMNAMAOA

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-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 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 (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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 EPHX1 314/4885ALDH1A1 404/4885KDM4E 3624/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 EPHX1 333/4885ALDH1A1 392/4885KDM4E 3321/4885

“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.