SCHEMBL3172135

SCHEMBL3172135

C#CCNCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
KDM1A O60341 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 3/20 0.41
HRH1 P35367 3/20 0.41
TAAR1 Q96RJ0 1/20 0.39
AOC3 Q16853 1/20 0.39

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
Hydrochloric Acid SCHEMBL9529379 0.88 P2RX7 (0.45) GRIN1GRIN2AMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL9529870 0.88 GRIN1 (0.42) GRIN1GRIN2AMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL9529487 0.88 PYCR1 (0.49) GRIN1GRIN2AMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL9528205 0.88 PYCR1 (0.49) GRIN1GRIN2AMAOAMAOBKDM1A
Hydrochloric Acid SCHEMBL9530903 0.88 PYCR1 (0.49) GRIN1GRIN2AMAOAMAOBKDM1A
SCHEMBL5794231 0.84 TAAR1 (0.55) MAOAMAOBKDM1AKMT2AMEN1
SCHEMBL17881888 0.82 GBA1 (0.45) MAOAMAOBKDM1ACYP1A2CYP3A4
SCHEMBL20525309 0.82 GBA1 (0.45) MAOAMAOBKDM1ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3650965 0.82 TAAR1 (0.58) MAOAMAOBKDM1AKMT2AMEN1
SCHEMBL2480261 0.78 MAOA (0.40) GRIN1GRIN2AMAOAMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229295-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING PHENYLPROPENE DERIVATIVE AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-11-30 WO claimed
WO-2023229295-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING PHENYLPROPENE DERIVATIVE AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-11-30 WO disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-8715635-B2 Frictionless molecular rotary motors TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2014-05-06 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
US-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-01-21 US disclosed
WO-2008096360-A2 FRICTIONLESS MOLECULAR ROTARY MOTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2008-08-14 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-20100016610-A1 FRICTIONLESS MOLECULAR ROTARY MOTORS DYNLL2, ATXN2L, DYNLL1 GRIN1 802/4885GRIN2A 477/4885MAOA 2682/4885

“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.