SCHEMBL4913656

SCHEMBL4913656

CN(C)CCCN1C=CC2=C(CCC=C2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 8/20 0.44
▸ SLC6A4 P31645 8/20 0.43
▸ DRD2 P14416 7/20 0.43
▸ HTR6 P50406 7/20 0.43
▸ MAPT P10636 7/20 0.43
▸ HTR1A P08908 6/20 0.43
▸ HTR2A P28223 6/20 0.43
▸ LMNA P02545 6/20 0.43
▸ CYP2D6 P10635 5/20 0.43
▸ HTR7 P34969 4/20 0.43
▸ CHRM2 P08172 4/20 0.43
▸ DRD1 P21728 4/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ ADRA1A P35348 4/20 0.43
▸ OPRM1 P35372 4/20 0.43
▸ DRD3 P35462 4/20 0.43
▸ MTOR P42345 4/20 0.43
▸ SLC22A1 O15245 3/20 0.43
▸ CHRM4 P08173 3/20 0.43
▸ CHRM5 P08912 3/20 0.43

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
Hydrochloric Acid SCHEMBL14699548 0.85 HTR2A (0.38) MAPTHTR2ASMN1; SMN2KMT2AMEN1
SCHEMBL14721884 0.85 MEN1 (0.34) MAPTSMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL14722203 0.82 — —
SCHEMBL8027453 0.82 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14699541 0.71 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL15900287 0.70 ALDH1A1 (0.32) MAPTLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL14721914 0.70 NUDT1 (0.31) —
SCHEMBL7168223 0.66 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL6904056 0.66 HTR2B (0.46) HRH1SLC6A4DRD2HTR6MAPT
Hydrochloric Acid SCHEMBL5902888 0.65 SLC6A2 (0.47) HRH1SLC6A4DRD2HTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076757-A1 MEDICINE FOR TREATING GASTROINTESTINAL DISORDER INCLUDING IRRITABLE BOWEL SYNDROME LUNDEEN JAMES E 2008-03-27 — — US disclosed
US-20070142367-A1 METHOD AND MEDICINE FOR TREATING GASTROINTESTINAL DISORDER INCLUDING FECAL INCONTINENCE LUNDEEN JAMES E 2007-06-21 — — US disclosed
US-20060148783-A1 Method and medicine for treating gastrointestinal disorder including fecal incontinence SIR ISAAC NEWTON ENTERPRISES LLC 2006-07-06 — — US disclosed
US-20060148784-A1 Medicine for treating gastrointestinal disorder in a non-human mammal LUNDEEN JAMES E 2006-07-06 — — US disclosed
US-20060148782-A1 Method and medicine for treating a mammal presenting urinary incontinence, urinary urgency, or both SIR ISAAC NEWTON ENTERPRISES LLC 2006-07-06 — — US disclosed
US-20060148781-A1 Method and medicine for treating gastrointestinal disorder in a non-human mammal SIR ISAAC NEWTON ENTERPRISES LLC 2006-07-06 — — US disclosed
US-20060148786-A1 Medicine for treating gastrointestinal disorder including irritable bowel syndrome LUNDEEN JAMES E 2006-07-06 — — US disclosed
US-20060148785-A1 Medicine for treating gastrointestinal disorder including fecal incontinence LUNDEEN JAMES E 2006-07-06 — — US disclosed
US-20050113365-A1 Method and medicine for treating gastrointestinal disorder including irritable bowel syndrome SIR ISAAC NEWTON ENTERPRISES LLC (US) 2005-05-26 — — US disclosed
WO-1992018005-A1 METHOD OF TREATING TRICHOTILLOMANIA AND ONYCHOPHAGIA NATIONAL INSTITUTES OF HEALTH (US) 1992-10-29 — — WO disclosed
US-5008262-A Administering clomipramine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1991-04-16 — — 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 (9 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-20060148786-A1 Medicine for treating gastrointestinal disorder including irritable bowel syndrome SI, FABP2, HNMT HRH1 38/4885SLC6A4 24/4885DRD2 81/4885
US-20050113365-A1 Method and medicine for treating gastrointestinal disorder including irritable bowel syndrome SI, TPH1, FABP2 HRH1 42/4885SLC6A4 27/4885DRD2 71/4885
US-20070142367-A1 METHOD AND MEDICINE FOR TREATING GASTROINTESTINAL DISORDER INCLUDING FECAL INCONTINENCE SI, HNMT, SLC10A2 HRH1 208/4885SLC6A4 31/4885DRD2 351/4885
US-20080076757-A1 MEDICINE FOR TREATING GASTROINTESTINAL DISORDER INCLUDING IRRITABLE BOWEL SYNDROME SI, FABP2, SLC10A2 HRH1 71/4885SLC6A4 34/4885DRD2 170/4885
US-20060148784-A1 Medicine for treating gastrointestinal disorder in a non-human mammal SI, FABP2, FABP6 HRH1 76/4885SLC6A4 19/4885DRD2 314/4885
US-20060148782-A1 Method and medicine for treating a mammal presenting urinary incontinence, urinary urgency, or both HNMT, CKMT1A; CKMT1B, OAT HRH1 277/4885SLC6A4 64/4885DRD2 542/4885
US-20060148785-A1 Medicine for treating gastrointestinal disorder including fecal incontinence SI, SLC10A2, HNMT HRH1 272/4885SLC6A4 21/4885DRD2 586/4885
US-20060148781-A1 Method and medicine for treating gastrointestinal disorder in a non-human mammal SI, FABP2, FABP6 HRH1 69/4885SLC6A4 24/4885DRD2 259/4885
US-20060148783-A1 Method and medicine for treating gastrointestinal disorder including fecal incontinence SI, SLC10A2, HNMT HRH1 250/4885SLC6A4 25/4885DRD2 470/4885

“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.

Send feedback