SCHEMBL3910550

SCHEMBL3910550

NCC1(O)CCCc2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.53
SLC6A4 P31645 6/20 0.43
SLC6A3 Q01959 6/20 0.43
KDM4C Q9H3R0 1/20 0.40
SIGMAR1 Q99720 4/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAP3K14 Q99558 2/20 0.36

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
SCHEMBL27199251 0.90 KDM1A (0.50) KDM1ASLC6A4SLC6A3HTR2AHTR2C
SCHEMBL3896827 0.81 SIGMAR1 (0.36) KDM1ASIGMAR1
SCHEMBL6568570 0.81 KDM1A (0.53) KDM1ASLC6A4SLC6A3
SCHEMBL7976327 0.79 KDM1A (0.45) KDM1ASLC6A4SLC6A3KDM4CSIGMAR1
SCHEMBL1333907 0.78 KDM1A (0.47) KDM1ASIGMAR1HTR2AHTR2C
SCHEMBL6567499 0.77 KDM1A (0.48) KDM1ASIGMAR1
SCHEMBL11086002 0.74 KDM4C (0.35) KDM1ASLC6A4SLC6A3KDM4C
SCHEMBL23376916 0.73 MAP3K14 (0.55) KDM1AHTR2AHTR2CMAP3K14
SCHEMBL23376859 0.73 MAP3K14 (0.55) KDM1AHTR2AHTR2CMAP3K14
SCHEMBL17361959 0.73 APP (0.39) KDM1AKDM4C

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
EP-1382333-B1 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria ASTELLAS PHARMA INC (JP) 2009-02-25 EP disclosed
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 US disclosed
EP-1403256-A1 FUSED IMIDAZOLE DERIVATIVE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-31 EP disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 KDM1A 2636/4885SLC6A4 2991/4885SLC6A3 3131/4885
US-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP KDM1A 1212/4885SLC6A4 801/4885SLC6A3 483/4885

“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.