SCHEMBL5860142

SCHEMBL5860142

CN1CCN(c2cccc3c2CN(C(=O)Cc2cccnc2)CC3)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 7/20 0.60
▸ TMEM97 Q5BJF2 3/20 0.58
▸ SIGMAR1 Q99720 3/20 0.58
▸ FNTA P49354 4/20 0.43
▸ FNTB P49356 4/20 0.43
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ PARP4 Q9UKK3 1/20 0.43
▸ PARP3 Q9Y6F1 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL5690023 0.83 TMEM97 (0.60) CXCR3TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL5690806 0.82 TMEM97 (0.59) CXCR3TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL5450120 0.80 TMEM97 (0.57) CXCR3TMEM97SIGMAR1
SCHEMBL5861658 0.80 MAPT (0.60) CXCR3TMEM97SIGMAR1ALDH1A1
SCHEMBL5690246 0.80 TMEM97 (0.56) CXCR3TMEM97SIGMAR1
SCHEMBL13621174 0.78 FNTA (0.64) FNTAFNTBCHRM1ALDH1A1KDM4E
SCHEMBL5861502 0.77 TMEM97 (0.58) CXCR3TMEM97SIGMAR1PARP1ALDH1A1
SCHEMBL17114833 0.76 CXCR3 (1.00) CXCR3
SCHEMBL17114836 0.76 CXCR3 (1.00) CXCR3
SCHEMBL5861550 0.76 TMEM97 (0.59) CXCR3TMEM97SIGMAR1

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
US-7101881-B2 Tetrahydroquinolines PFIZER INC (US) 2006-09-05 — — US claimed
US-20040254193-A1 Novel tetrahydroquinolines PFIZER INC 2004-12-16 — — US claimed
US-7101881-B2 Tetrahydroquinolines PFIZER INC (US) 2006-09-05 — — US disclosed
US-20040254193-A1 Novel tetrahydroquinolines PFIZER INC 2004-12-16 — — 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-20040254193-A1 Novel tetrahydroquinolines HTR5A, SLC18A2, HTR3B CXCR3 395/4885TMEM97 264/4885SIGMAR1 545/4885

“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.

Send feedback