Sugi Predict

Sugi Predict / Compounds / SCHEMBL4897850

SCHEMBL4897850

SCHEMBL4897850

CC(C)CNc1ccc([C@H]2C[C@@H]2CN2CCC[C@@H]2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.38
▸ HTR2C P28335 1/20 0.35
▸ HRH3 Q9Y5N1 11/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL3944956 0.79 RECQL (0.51) KDM1AHRH3ALDH1A1RECQLMEN1
SCHEMBL4889856 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL776338 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL4890920 0.78 ALDH1A1 (0.51) KDM1AHTR2CHRH3ALDH1A1
SCHEMBL4886693 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL4889853 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL4886650 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL799526 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL776339 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2
SCHEMBL4896173 0.78 HTR2C (0.47) KDM1AHTR2CHRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108948-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2015-08-18 — — US disclosed
EP-2049472-B1 CYCLOPROPYL AMINE DERIVATIVES AS HISTAMIN H3 RECEPTOR MODULATORS ABBVIE BAHAMAS LTD (BS) 2015-01-21 — — EP disclosed
US-8829041-B2 Cyclopropyl amine derivatives ABBVIE INC. (US) 2014-09-09 — — US disclosed
US-20080242653-A1 Cyclopropyl amine derivatives ABBVIE INC. 2008-10-02 — — US disclosed
US-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis ABBVIE INC. 2008-01-24 — — 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-20080021081-A1 e.g. 4'-2-{[(2S)-2-methylpyrrolidin-1-yl]methyl}cyclopropyl)-1,1'-biphenyl-4-carbonitrile; histamine-3 receptor ligand; neuroleptic agent, neurodegenerative diseases, cognition activator; attention-deficit hyperactivity disorder, schizophrenia, Alzheimer's disease, epilepsy, seizures, allergic rhinitis HRH4, HRH3, HNMT KDM1A 669/4885HTR2C 13/4885HRH3 2/4885
US-20080242653-A1 Cyclopropyl amine derivatives HRH3, HRH4, HRH2 KDM1A 1513/4885HTR2C 213/4885HRH3 1/4885

“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.