SCHEMBL3198511

SCHEMBL3198511

O=C(Cn1ncc2c1-c1ccccc1OC2)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ TP53 P04637 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ SIGMAR1 Q99720 2/20 0.52
▸ GAA P10253 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL3188383 0.84 ALDH1A1 (0.58) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL3186204 0.82 TSHR (0.78) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL3200470 0.77 MAPT (0.54) MAPTALDH1A1KDM4ETP53MEN1
SCHEMBL3188506 0.73 MAPT (0.58) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL3195570 0.73 TP53 (0.56) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL3186400 0.72 TSHR (0.60) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL5124505 0.72 SIGMAR1 (0.81) POLBSIGMAR1
SCHEMBL2610146 0.71 MAPT (0.75) MAPTALDH1A1KDM4ETP53TSHR
SCHEMBL3203571 0.71 NPSR1 (0.81) MAPTTP53TSHRNPSR1
SCHEMBL5862113 0.70 SIGMAR1 (1.00) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 — — US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 — — 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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 MAPT 2809/4885ALDH1A1 662/4885KDM4E 4801/4885

“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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