SCHEMBL10087237

SCHEMBL10087237

CN[C@@H](C)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
CYP2A6 P11509 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
SCHEMBL8284221 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
SCHEMBL178498 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
Hydrochloric Acid SCHEMBL26650359 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
Hydrochloric Acid SCHEMBL26650364 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
Hydrochloric Acid SCHEMBL29532516 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
SCHEMBL30606202 0.84 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
SCHEMBL28277824 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
SCHEMBL2669165 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL10087160 0.78 POLB (0.47) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA
SCHEMBL508662 0.78 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2POLBCYP1A2LMNA

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-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed
US-20100010061-A1 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2010-01-14 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 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 (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-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 ALDH1A1 71/4885SMN1; SMN2 2512/4885POLB 669/4885
US-20100010061-A1 CB1 RECEPTOR MODULATORS CNR1, CNR2, GPR6 ALDH1A1 3325/4885SMN1; SMN2 3896/4885POLB 4193/4885

“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.