SCHEMBL5690040

SCHEMBL5690040

CN1CCN(c2cccc3c2CN(C(=O)Cc2ccc(Cl)cc2Cl)CC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.58
▸ ERCC4 Q92889 1/20 0.58
▸ TMEM97 Q5BJF2 3/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ HDAC8 Q9BY41 1/20 0.44
▸ CXCR3 P49682 4/20 0.43
▸ MC4R P32245 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 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
SCHEMBL5861502 0.89 TMEM97 (0.58) ERCC1ERCC4TMEM97SIGMAR1CXCR3
SCHEMBL5690806 0.85 TMEM97 (0.59) TMEM97SIGMAR1CXCR3SMN1; SMN2ALDH1A1
SCHEMBL5690246 0.83 TMEM97 (0.56) TMEM97SIGMAR1CXCR3LMNADRD2
SCHEMBL5689952 0.80 CXCR3 (0.57) TMEM97SIGMAR1CXCR3MC4RALDH1A1
SCHEMBL5690320 0.79 ENPP2 (0.57) TMEM97SIGMAR1CXCR3POLBHPGD
SCHEMBL5690023 0.78 TMEM97 (0.60) TMEM97SIGMAR1CXCR3POLBSMN1; SMN2
SCHEMBL5690532 0.78 TMEM97 (0.56) TMEM97SIGMAR1CXCR3POLBHPGD
SCHEMBL5450120 0.78 TMEM97 (0.57) TMEM97SIGMAR1CXCR3HPGDLMNA
SCHEMBL5861658 0.76 MAPT (0.60) TMEM97SIGMAR1CXCR3HPGDSMN1; SMN2
SCHEMBL5861550 0.76 TMEM97 (0.59) TMEM97SIGMAR1CXCR3HTR1ADRD2

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-7101881-B2 Tetrahydroquinolines PFIZER INC (US) 2006-09-05 — — US claimed
EP-1641760-A2 NOVEL TETRAHYDROQUINOLINES Pfizer Products Inc. (US) 2006-04-05 — — EP claimed
WO-2004108682-A2 TETRAHYDROISOQUINOLINES AS ANTAGONISTS OF THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2004-12-16 — — WO 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 ERCC1 576/4885ERCC4 302/4885TMEM97 264/4885

“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.

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