SCHEMBL605319

SCHEMBL605319

CC1(Cc2ccccc2)C=CC=CC1CN

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.34
MAOB P27338 7/20 0.34
KDM1A O60341 4/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
CYP3A4 P08684 1/20 0.32
ELANE P08246 1/20 0.32
HTR2A P28223 4/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
CYP2A6 P11509 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31206797 0.85 ALDH1A1 (0.35) MAOAMAOBCYP3A4ELANESMN1; SMN2
SCHEMBL11743036 0.73 CYP3A4 (0.31) MAOAMAOBCYP3A4ELANEMEN1
SCHEMBL29285329 0.73 TAAR1 (0.44) CYP3A4HTR2BSMN1; SMN2TAAR1MEN1
SCHEMBL28667819 0.68 ALDH1A1 (0.40) CYP3A4SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL10762687 0.66 CYP1A2 (0.34) CYP3A4HTR2A
SCHEMBL5790163 0.66 MAOA (0.38) MAOAMAOBKDM1ALOXL2CYP3A4
SCHEMBL6251595 0.65 SLC18A2 (0.35)
SCHEMBL28143403 0.65 TAAR1 (0.38) MAOAMAOBKDM1ALOXL2HTR2A
SCHEMBL394270 0.65 MAOA (0.41) MAOAMAOBKDM1ALOXL2CYP3A4
SCHEMBL2588060 0.64 ELANE (0.35) MAOAMAOBCYP3A4ELANEMEN1

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
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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 (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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 MAOA 2076/4885MAOB 2180/4885KDM1A 3874/4885

“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.