SCHEMBL3733672

SCHEMBL3733672

N#CC(OCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SGMS2 Q8NHU3 2/20 0.43
TSHR P16473 2/20 0.43
MAOB P27338 2/20 0.43
TRPA1 O75762 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TACR1 P25103 2/20 0.41
IDO1 P14902 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6035746 0.84 IDO1 (0.43) SLC6A2SLC6A4SLC6A3SGMS2TACR1
SCHEMBL6749962 0.81 ALOX5 (0.47) SLC6A2SLC6A4SLC6A3SGMS2MAOB
SCHEMBL11864549 0.81 MAOB (0.53) SLC6A2SLC6A4SGMS2MAOBIDO1
SCHEMBL1200547 0.80 TSHR (0.42) SLC6A2SLC6A4SLC6A3TSHRTRPA1
SCHEMBL2673956 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCHRNB2
SCHEMBL16864534 0.80 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRMAOB
SCHEMBL27836981 0.80 TSHR (0.42) SLC6A2SLC6A4SLC6A3TSHRTRPA1
SCHEMBL4775948 0.80 TRPA1 (0.47) SLC6A2SLC6A4SLC6A3SGMS2TSHR
SCHEMBL7537198 0.80 CHRNB2 (0.50) SLC6A2SLC6A4SLC6A3SGMS2TSHR
SCHEMBL1827514 0.79 CA1 (0.40) MAOBALDH1A1KMT2ACTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304578-B2 Process for producing 1-[2-(dimethylamino)-1-(4-phenol)ethyl]cyclohexanol MATRIX LABORATORIES LIMITED (IN) 2012-11-06 US claimed
US-20100286447-A1 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2010-11-11 US claimed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO claimed
CN-106349105-B A kind of preparation method of benzyl cyanide 河北诚信集团有限公司 2018-11-27 CN disclosed
US-8304578-B2 Process for producing 1-[2-(dimethylamino)-1-(4-phenol)ethyl]cyclohexanol MATRIX LABORATORIES LIMITED (IN) 2012-11-06 US disclosed
US-20100286447-A1 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
WO-2009084039-A2 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL MATRIX LABORATORIES LIMITED (IN) 2009-07-09 WO disclosed
US-7276526-B2 Substituted thiazoles and oxazoles as corticotropin releasing hormone ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
CN-1984892-A Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-06-20 CN disclosed
US-20030114502-A1 Substituted thiazoles and oxazoles as corticotropin releasing hormone ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-19 US disclosed
WO-2003006015-A1 SUBSTITUTED THIAZOLES AND OXAZOLES AS CORTICOTROPIN RELEASING HORMONE LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-01-23 WO disclosed
US-4412082-A Method for preparing 4-hydroxyphenylacetic acid NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-25 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-20030114502-A1 Substituted thiazoles and oxazoles as corticotropin releasing hormone ligands CRH, CRHR1, CRHR2 SLC6A2 555/4885SLC6A4 349/4885SLC6A3 450/4885
US-20100286447-A1 PROCESS FOR PRODUCING 1-[2-(DIMETHYLAMINO)-1-(4-PHENOL)ETHYL]CYCLOHEXANOL COMT, HTR1A, TPH1 SLC6A2 97/4885SLC6A4 46/4885SLC6A3 123/4885

“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.