SCHEMBL13509696

SCHEMBL13509696

CC(C)CCCCNCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CHRM2 P08172 6/20 0.44
▸ MAOA P21397 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIGMAR1 Q99720 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
SCHEMBL13965835 0.87 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2D6CYP2C19KDM4E
SCHEMBL1659835 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2D6CYP2C19CHRM2
SCHEMBL16522409 0.82 MAOA (0.68) CHRM2MAOAMAPTSIGMAR1
SCHEMBL13509693 0.81 CHRM2 (0.71) ALDH1A1CYP2D6CHRM2
SCHEMBL372804 0.81 MAOA (0.71) CHRM2MAOASIGMAR1
SCHEMBL29380563 0.81 MAOA (0.71) CHRM2MAOASIGMAR1
SCHEMBL26375519 0.81 CHRM2 (0.50) CYP2D6CYP2C19CHRM2MAOAHRH4
SCHEMBL640522 0.81 MAOA (0.71) CHRM2MAOASIGMAR1
SCHEMBL7861380 0.81 MAOA (0.71) CHRM2MAOASIGMAR1
SCHEMBL6900998 0.81 MAOA (0.71) CHRM2MAOASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 — — US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 — — US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 — — US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 — — US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 — — US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 — — US disclosed
WO-2009121063-A2 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2009-10-01 — — WO 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-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 ALDH1A1 2030/4885CYP3A4 2009/4885CYP2D6 2232/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 ALDH1A1 2030/4885CYP3A4 2009/4885CYP2D6 2232/4885

“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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