SCHEMBL3899588

SCHEMBL3899588

C1=CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.42
HSD17B10 Q99714 7/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 6/20 0.42
HPGD P15428 4/20 0.42
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 3/20 0.42
CYP2D6 P10635 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SLC6A7 Q99884 2/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 5/20 0.41
CYP2C9 P11712 4/20 0.41
MAOA P21397 2/20 0.41
ALOX12 P18054 1/20 0.41
NPY5R Q15761 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
SCHEMBL1889513 0.87 LMNA (0.46) USP2HSD17B10ALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL27925724 0.85 LMNA (0.45) USP2HSD17B10ALDH1A1HPGDMAPK1
SCHEMBL3961892 0.81 TAAR1 (0.46) USP2HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL3961891 0.79 DHODH (0.42) ALDH1A1IKBKB
SCHEMBL5276484 0.78 SIGMAR1 (0.48) ALDH1A1HPGDSMN1; SMN2KMT2AMAOA
SCHEMBL4565389 0.78 MAPK1 (0.48) USP2ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL4317647 0.78 MAPT (0.50) USP2HSD17B10ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8239647 0.78 ADRB1 (0.48) SMN1; SMN2MEN1KMT2APOLBDHFR
Fluoride SCHEMBL27569822 0.76 MEN1 (0.56) USP2HSD17B10ALDH1A1CYP1A2HPGD
Hydrochloric Acid SCHEMBL6368616 0.76 MAPK1 (0.47) USP2ALDH1A1HPGDMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP 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-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R USP2 4243/4885HSD17B10 1221/4885ALDH1A1 2244/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R USP2 4243/4885HSD17B10 1221/4885ALDH1A1 2244/4885

“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.