SCHEMBL17872736

SCHEMBL17872736

N[C@]1(c2ccc(Cl)cc2)C[C@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
RCOR1 Q9UKL0 3/20 0.40
DRD2 P14416 1/20 0.37
SLC6A3 Q01959 4/20 0.36
SLC6A4 P31645 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
PTGS2 P35354 2/20 0.35
CCR2 P41597 1/20 0.35
SLC18A3 Q16572 1/20 0.35

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
SCHEMBL17872738 1.00 KDM1A (0.48) KDM1AMAOAMAOBRCOR1DRD2
SCHEMBL17872734 1.00 KDM1A (0.48) KDM1AMAOAMAOBRCOR1DRD2
SCHEMBL1608039 0.79 KDM1A (0.40) KDM1AMAOBRCOR1MEN1KMT2A
SCHEMBL1539148 0.79 KDM1A (0.40) KDM1AMAOBRCOR1MEN1KMT2A
SCHEMBL10226674 0.79 KDM1A (0.40) KDM1AMAOBRCOR1MEN1KMT2A
SCHEMBL20187414 0.75 MAOA (0.53) KDM1AMAOAMAOBDRD2SLC6A3
SCHEMBL668905 0.75 SLC6A4 (0.47) KDM1AMAOAMAOBDRD2SLC6A3
SCHEMBL27288645 0.75 KDM1A (0.44) KDM1AMAOAMAOBRCOR1DRD2
Hydrochloric Acid SCHEMBL1919156 0.73 SLC6A4 (0.45) KDM1AMAOAMAOBDRD2SLC6A3
SCHEMBL8478708 0.71 SLC6A4 (0.53) SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 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 (4 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-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 KDM1A 4460/4885MAOA 895/4885MAOB 589/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 KDM1A 4419/4885MAOA 901/4885MAOB 633/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 KDM1A 4419/4885MAOA 901/4885MAOB 633/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 KDM1A 4460/4885MAOA 895/4885MAOB 589/4885

“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.