Sugi Predict

Sugi Predict / Compounds / SCHEMBL2518972

SCHEMBL2518972

SCHEMBL2518972

OC1(c2cccnc2Br)CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.59
▸ POLB P06746 1/20 0.56
▸ CCR3 P51677 1/20 0.52
▸ CHRM2 P08172 1/20 0.49
▸ SIGMAR1 Q99720 5/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ NFKB1 P19838 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44

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
SCHEMBL21582550 0.84 CHRM2 (0.52) OPRL1POLBCHRM2SIGMAR1CYP3A4
SCHEMBL6911078 0.80 OPRL1 (0.71) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL3905400 0.78 OPRL1 (0.63) OPRL1POLBCCR3CHRM2SIGMAR1
SCHEMBL3212649 0.77 OPRL1 (0.58) OPRL1POLBCCR3CHRM2SIGMAR1
Hydrochloric Acid SCHEMBL7751618 0.77 POLB (0.64) OPRL1POLBCCR3CHRM2SIGMAR1
SCHEMBL2883677 0.76 OPRL1 (0.66) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL10916463 0.76 OPRL1 (0.70) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL6042326 0.76 OPRL1 (0.66) OPRL1POLBCCR3SIGMAR1CYP3A4
SCHEMBL2515120 0.75 OPRL1 (0.56) OPRL1POLBCCR3CHRM2SIGMAR1
SCHEMBL2877688 0.75 OPRL1 (0.77) OPRL1POLBCCR3SIGMAR1CYP3A4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218381-B1 SPIRO-THIAZOLONES HOFFMANN LA ROCHE (CH) 2019-01-23 — — EP disclosed
EP-3218381-B1 SPIRO-THIAZOLONES HOFFMANN LA ROCHE (CH) 2019-01-23 — — EP disclosed
US-10092551-B2 Spiro-thiazolones HOFFMANN-LAROCHE INC. (US) 2018-10-09 — — US disclosed
EP-3218381-A1 SPIRO-THIAZOLONES F. Hoffmann-La Roche AG (CH) 2017-09-20 — — EP disclosed
US-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 — — US disclosed
US-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 — — US disclosed
US-20170246153-A1 SPIRO-THIAZOLONES HOFFMANN-LA ROCHE INC. (US) 2017-08-31 — — US disclosed
WO-2016075181-A1 SPIRO-THIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2016-05-19 — — WO disclosed
US-8044202-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[pentane[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-25 — — US disclosed
US-8044202-B2 e.g.1'-[(6-chloro-1H-indol-3-yl)carbonyl]-7H-spiro[pentane[3,4-b]pyridine-5,4'-piperidine]; vasopressin V1a receptor antagonist; antidepressant and anxiolytic agent; dysmenorrhea, hypertension, chronic heart failure, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome HOFFMANN-LA ROCHE INC. (US) 2011-10-25 — — US disclosed
US-20080281103-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-11-13 — — US disclosed
US-20080281103-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-11-13 — — US disclosed
US-20080281103-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-11-13 — — US disclosed
WO-2008080844-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 — — WO disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161333-A1 AZASPIRO DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — US disclosed
US-20080161332-A1 AZASPIRO DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — 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 (5 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-10092551-B2 Spiro-thiazolones AVPR1A, AVPR2, AVPR1B OPRL1 46/4885POLB 3378/4885CCR3 1428/4885
US-20080281103-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A OPRL1 131/4885POLB 3468/4885CCR3 2239/4885
US-20080161332-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A OPRL1 131/4885POLB 3468/4885CCR3 2239/4885
US-20080161333-A1 AZASPIRO DERIVATIVES AVPR1A, HTR5A, HTR1A OPRL1 131/4885POLB 3468/4885CCR3 2239/4885
US-20170246153-A1 SPIRO-THIAZOLONES AVPR1A, AVPR2, AVPR1B OPRL1 46/4885POLB 3378/4885CCR3 1428/4885

“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.