SCHEMBL18173410

SCHEMBL18173410

C/C(=C\C1CC1N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 1.00
MAOB P27338 9/20 0.38
MAOA P21397 8/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2B6 P20813 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL18173412 1.00 KDM1A (1.00) KDM1AMAOBMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL18172772 0.98 KDM1A (0.96) KDM1AMAOBMAOACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL18172775 0.98 KDM1A (0.96) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL18172996 0.77 KDM1A (0.62) KDM1ACES2CES1
SCHEMBL18173001 0.77 KDM1A (0.62) KDM1ACES2CES1
SCHEMBL818384 0.72 KDM1A (0.56) KDM1ACYP2C19CYP1A2CES2CES1
SCHEMBL13729451 0.71 KDM1A (0.55) KDM1ACES2CES1CHRM3MAPT
SCHEMBL498675 0.69 KDM1A (0.52) KDM1ALMNACES2CES1MAPT
SCHEMBL16861481 0.69 KDM1A (0.52) KDM1ALMNACES2CES1MAPT
SCHEMBL10842594 0.68 KDM1A (0.52) KDM1ACES2CES1HSD17B10MAPT

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-10-11 US disclosed
EP-3286172-A1 LSD1 INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2018-02-28 EP disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 WO disclosed
WO-2016172496-A1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-10-27 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 (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-20180290976-A1 LSD1 INHIBITORS AND USES THEREOF KDM1B, KDM1A, KDM2A KDM1A 2/4885MAOB 241/4885MAOA 212/4885

“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.