SCHEMBL5861550

SCHEMBL5861550

CN1CCN(c2cccc3c2CN(C(=O)CC2CC2)CC3)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.59
▸ SIGMAR1 Q99720 3/20 0.59
▸ CXCR3 P49682 9/20 0.48
▸ DRD3 P35462 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ HTR1A P08908 4/20 0.41
▸ DRD2 P14416 4/20 0.41
▸ PRMT5 O14744 2/20 0.41
▸ ADAM10 O14672 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL5446306 0.81 TMEM97 (0.67) TMEM97SIGMAR1CXCR3DRD3HTR6
SCHEMBL5690023 0.80 TMEM97 (0.60) TMEM97SIGMAR1CXCR3
SCHEMBL5690806 0.79 TMEM97 (0.59) TMEM97SIGMAR1CXCR3
SCHEMBL5861502 0.78 TMEM97 (0.58) TMEM97SIGMAR1CXCR3DRD3HTR6
SCHEMBL5689952 0.77 CXCR3 (0.57) TMEM97SIGMAR1CXCR3HTR1ADRD2
SCHEMBL5861658 0.77 MAPT (0.60) TMEM97SIGMAR1CXCR3
SCHEMBL5450120 0.77 TMEM97 (0.57) TMEM97SIGMAR1CXCR3HTR1ADRD2
SCHEMBL5860142 0.76 CXCR3 (0.60) TMEM97SIGMAR1CXCR3
SCHEMBL5690320 0.76 ENPP2 (0.57) TMEM97SIGMAR1CXCR3HTR1A
SCHEMBL5690246 0.76 TMEM97 (0.56) TMEM97SIGMAR1CXCR3DRD2

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 TMEM97 264/4885SIGMAR1 545/4885CXCR3 395/4885

“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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