SCHEMBL5243003

SCHEMBL5243003

c1ccc(CN2CCC3(CCN(Cc4ccccc4)C3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.67
CYP3A4 P08684 6/20 0.67
TSHR P16473 5/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
ALDH1A1 P00352 1/20 0.64
HIF1A Q16665 1/20 0.64
USP2 O75604 2/20 0.62
CYP1A2 P05177 2/20 0.62
HSD17B10 Q99714 1/20 0.59
SIGMAR1 Q99720 2/20 0.59

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
SCHEMBL1732446 0.94 CYP2D6 (0.65) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL14218795 0.91 CYP2D6 (0.60) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL16349557 0.90 CYP2D6 (0.59) CYP2D6CYP3A4TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9688641 0.90 CYP2D6 (0.59) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL24798656 0.89 CYP2D6 (0.68) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL24798927 0.89 CYP2D6 (0.68) CYP2D6CYP3A4TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL9689675 0.88 CYP2D6 (0.58) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL18389864 0.88 CYP2D6 (0.64) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL18389865 0.88 CYP2D6 (0.60) CYP2D6CYP3A4TSHRMEN1KMT2A
SCHEMBL4292159 0.88 CYP2D6 (0.76) CYP2D6CYP3A4TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11100381-A None JP disclosed
JP-11060577-A None JP disclosed
US-7229996-B2 Rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2007-06-12 US disclosed
EP-1781670-A1 RIFAMYCIN DERIVATIVES FOR TREATING MICROBIAL INFECTIONS Cumbre Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
WO-2006012470-A1 RIFAMYCIN DERIVATIVES FOR TREATING MICROBIAL INFECTIONS CUMBRE PHARMACEUTICALS INC. (US) 2006-02-02 WO disclosed
US-20060019985-A1 Rifamycin derivatives CUMBRE INC. (US) 2006-01-26 US disclosed
JP-H11100381-A DIAZASPIRONONANIUM SALT SHOWA DENKO KK 1999-04-13 JP disclosed
JP-H1160577-A ORGANIC TEMPLATE FOR SYNTHESIZING ZEOLITE SHOWA DENKO KK 1999-03-02 JP 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-20060019985-A1 Rifamycin derivatives RIF1, NQO1, MRM1 CYP2D6 90/4885CYP3A4 353/4885TSHR 3593/4885

“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.