SCHEMBL1333907

SCHEMBL1333907

NCC1(O)CCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR2A P28223 2/20 0.42
SIGMAR1 Q99720 6/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
DRD2 P14416 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2C P28335 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 1/20 0.41
MTOR P42345 1/20 0.41
AKR1B1 P15121 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 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
SCHEMBL11079679 0.90 KDM1A (0.45) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL9499577 0.89 KDM1A (0.46) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL7960703 0.82 KDM1A (0.44) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL19130231 0.82 KDM1A (0.47) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL6691850 0.82 KDM1A (0.47) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL4420303 0.79 SIGMAR1 (0.49) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL15891588 0.78 CASP6 (0.45) KDM1AMEN1KMT2AHTR2ASIGMAR1
SCHEMBL3896827 0.78 SIGMAR1 (0.36) KDM1AMEN1KMT2ASIGMAR1AKR1B1
SCHEMBL3910550 0.78 KDM1A (0.53) KDM1AHTR2ASIGMAR1HTR2C
SCHEMBL6568570 0.78 KDM1A (0.53) KDM1ACYP3A4AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 US disclosed
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
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 EP disclosed
US-5158948-A Treating neurological and psychological disorders ABBOTT LABORATORIES (US) 1992-10-27 US disclosed
US-5030653-A N-2,6-dialkyl- or n-2,6-dialkoxyphenyl-n-arylalkylurea compounds WARNER-LAMBERT COMPANY (US) 1991-07-09 US disclosed
US-4999373-A Phenyl ureas or thioureas substituted with a xanthene or thioxanthene group WARNER-LAMBERT COMPANY (US) 1991-03-12 US disclosed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 US disclosed
EP-0179667-B1 N6-SUBSTITUTED ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-12-27 EP disclosed
US-4868210-A PHENYL UREAS AND PHENYL THIOUREAS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4791103-A HYPOTENSIVE AGENTS, PSYCHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1988-12-13 US disclosed
EP-0179667-A2 N6-substituted adenosines WARNER-LAMBERT COMPANY (US) 1986-04-30 EP disclosed
US-4473586-A Aminoalkyl dihydronaphthalenes ABBOTT LABORATORIES (US) 1984-09-25 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 (3 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 KDM1A 3924/4885MEN1 62/4885KMT2A 3182/4885
US-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 KDM1A 2636/4885MEN1 1176/4885KMT2A 1203/4885
US-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP KDM1A 1212/4885MEN1 1043/4885KMT2A 2618/4885

“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.